Sugi Predict

Sugi Predict / Compounds / SCHEMBL2509876

SCHEMBL2509876

SCHEMBL2509876

COc1cc(C(=O)NC(C)(C)C)ccc1S(=O)(=O)n1nc(-c2ccc(Cl)cc2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 1/20 0.39
▸ CPT1B Q92523 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ KCNJ1 P48048 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ PTGDR Q13258 2/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ B3GNT2 Q9NY97 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16167673 0.78 HSD11B1 (0.40) L3MBTL1CNR1SMPD1SMN1; SMN2HTT
SCHEMBL2513400 0.77 RXFP1 (0.37) CPT1ACPT1BL3MBTL1CNR1SMPD1
SCHEMBL2504845 0.77 AVPR2 (0.48) —
SCHEMBL2516925 0.74 P2RX3 (0.40) L3MBTL1SMN1; SMN2ROCK2ROCK1
SCHEMBL7918146 0.73 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL16530763 0.72 CMA1 (0.38) CPT1AL3MBTL1
SCHEMBL2479567 0.71 TRPV4 (0.53) MEN1HTTKMT2AHPGD
SCHEMBL7911467 0.70 ALDH1A1 (0.39) L3MBTL1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL16167675 0.70 ALDH1A1 (0.39) L3MBTL1MEN1KMT2AHSD11B1HPGD
SCHEMBL7908197 0.70 ALDH1A1 (0.38) MEN1KMT2AHSD11B1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 — — EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 — — US disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 — — US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE CPT1A 543/4885CPT1B 828/4885L3MBTL1 1675/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.